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Compound Detail

CHEMBL4596976

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O=[N+]([O-])c1cccc(-n2cc(COc3ccc(/C=N/Nc4c5c(nc6ccccc46)CCCC5)cc3)nn2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596976
Phase Preclinical
Structure Type MOL
InChI Key VNUMIBCAIFARQP-OCSSWDANSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

519.6
MW (Da)
5.63
ALogP
9
HBA
1
HBD
120.4
PSA (Ų)
0.16
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H25N7O3
MW 519.57
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -1.84

Data from ChEMBL 36 via Core Engine